![(S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide structure](/static/products/956/956192-84-0.png)
(S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide
TL;DR: (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide (CAS 956192-84-0) is a chemical compound with molecular formula C32H30N4O6 and molecular weight 566.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(8S)-2,2-dimethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]-2-methoxy-N-(2-methoxybenzoyl)benzamide
Also Known As: (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide, N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-2-methoxy-N-[(2-methoxyphenyl)carbonyl]benzamide
| Molecular Formula | C32H30N4O6 |
|---|---|
| Molecular Weight | 566.22 g/mol |
| LogP | 3.9135 |
| Topological Polar Surface Area | 112.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 566.21655 |
| Heavy Atoms | 42 |
| Complexity | 1699.2495 |
Chemical Identifiers
| CAS Number | 956192-84-0 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)N(C(=O)C4=CC=CC=C4OC)C(=O)C5=CC=CC=C5OC)C6=CC=CC=C6N2)C |
Product Overview
(S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide (CAS 956192-84-0), with molecular formula C32H30N4O6 and molecular weight 566.22 g/mol. IUPAC: N-[(8S)-2,2-dimethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]-2-methoxy-N-(2-methoxybenzoyl)benzamide.
Chemical Property Profile of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide
Property Insights of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide
The XLogP value of 3.9135 indicates that (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide. Following Lipinski's Rule of Five, (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide?
The CAS number of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide is 956192-84-0.
What is the molecular formula of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide?
The molecular formula of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide is C32H30N4O6.
What is the molecular weight of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide?
The molecular weight of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide is 566.22 g/mol.
Where can I buy (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide?
You can request a quote for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-methoxy-N-(2-methoxybenzoyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.